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Recent Advancement in Computer-Aided Drug Design
Current Pharmaceutical Design, 2020Luciana, Scotti, Marcus Tullius, Scotti
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2020
This chapter describes computer-aided drug design. In the early days of drug design, success often relied on a significant element of luck. As the drug design process developed, medicinal chemists were able to produce guidelines which made the process much less dependent on luck, allowing a more informed choice with respect to which molecules to ...
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This chapter describes computer-aided drug design. In the early days of drug design, success often relied on a significant element of luck. As the drug design process developed, medicinal chemists were able to produce guidelines which made the process much less dependent on luck, allowing a more informed choice with respect to which molecules to ...
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Computer Aided Drug Design: Success and Limitations
Current Pharmaceutical Design, 2016Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design.
Mohammad Hassan, Baig +9 more
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Protein Flexibility and Computer-Aided Drug Design
Annual Review of Pharmacology and Toxicology, 2003Although computational techniques are increasingly being used in computer-aided drug design, the effects due to protein flexibility are still ignored in many applications. This review revisits rigorous statistical mechanical methods for predicting binding affinity, discusses some recent developments for improving their speed and reliability, and ...
Chung F, Wong, J Andrew, McCammon
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Current topics in computer‐aided drug design
Journal of Pharmaceutical Sciences, 2008The addition of computer-aided drug design (CADD) technologies to the research and drug discovery approaches could lead to a reduction of up to 50% in the cost of drug design. Designing a drug is the process of finding or creating a molecule which has a specific activity on a biological organism.
Carlton A, Taft +2 more
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Computer-aided drug design at Boehringer Ingelheim
Journal of Computer-Aided Molecular Design, 2016Computer-Aided Drug Design (CADD) is an integral part of the drug discovery endeavor at Boehringer Ingelheim (BI). CADD contributes to the evaluation of new therapeutic concepts, identifies small molecule starting points for drug discovery, and develops strategies for optimizing hit and lead compounds.
Ingo Muegge +2 more
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Computer Aided Drug Design: GPCRs and Proteases
2023Structure-based drug design is one of the more successful approaches used in medicinal chemistry to design and develop new drugs. One approach in structure-based drug design is to use high performance computers for analysing proteins and designing new lead molecules.
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Strategies for Indirect Computer-Aided Drug Design
Pharmaceutical Research, 1993This review is intended to describe some of the methods and procedures used for computer-aided drug design when the structure of the macromolecular target is unknown, as is the case for CNS active drugs. Strategies and methods used in computer-aided design of drugs in such instances must be "indirect," i.e., focusing on the characterization of the ...
G H, Loew, H O, Villar, I, Alkorta
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Computer-Aided Drug Design in Anticancer Drugs
MedScien, 2023The fight against cancer is a significant global health issue, and creating effective anticancer medications is crucial to addressing this challenge. Traditional methods of developing these drugs are time-consuming and require substantial financial investment.
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